Cargando…

3,3,3′,3′-Tetra­methyl-6,6′-bis­[(pyridin-4-yl)meth­oxy]-1,1′-spiro­biindane ­monohydrate

The asymmetric unit in the title compound, C(33)H(34)N(2)O(2)·H(2)O, consists of a V-shaped mol­ecule and a water mol­ecule to which it is hydrogen bonded. The angle between the mean planes of the two spiro-connected indane groups is 77.06 (5)°. The two five-membered rings of the indane groups have...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhang, Ya-Jie, Sun, Yan, Gao, Shu-Mei, Jiang, Xiao-Qing, Deng, Yu-Heng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379348/
https://www.ncbi.nlm.nih.gov/pubmed/22719546
http://dx.doi.org/10.1107/S1600536812021289
_version_ 1782236179374014464
author Zhang, Ya-Jie
Sun, Yan
Gao, Shu-Mei
Jiang, Xiao-Qing
Deng, Yu-Heng
author_facet Zhang, Ya-Jie
Sun, Yan
Gao, Shu-Mei
Jiang, Xiao-Qing
Deng, Yu-Heng
author_sort Zhang, Ya-Jie
collection PubMed
description The asymmetric unit in the title compound, C(33)H(34)N(2)O(2)·H(2)O, consists of a V-shaped mol­ecule and a water mol­ecule to which it is hydrogen bonded. The angle between the mean planes of the two spiro-connected indane groups is 77.06 (5)°. The two five-membered rings of the indane groups have envelope conformations with the methyl­ene atoms adjacent to the spiro C atom forming the flaps. They have deviations from the mean plane of the other four atoms in the rings of 0.374 (4) and 0.362 (4) Å. In the crystal, molecules are linked to form inversion dimers via O—H⋯N hydrogen bonds involving the pyridine N atoms and the solvent water mol­ecule. The dimers are linked into a chain along the b axis by π–π stacking inter­actions between a pyridine ring and its centrosymmetrically related ring in an adjacent dimer. The centroid–centroid distance between the planes is 3.7756 (17) Å, the perpendicular distance is 3.4478 (11) Å and the offset is 1.539 Å.
format Online
Article
Text
id pubmed-3379348
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33793482012-06-20 3,3,3′,3′-Tetra­methyl-6,6′-bis­[(pyridin-4-yl)meth­oxy]-1,1′-spiro­biindane ­monohydrate Zhang, Ya-Jie Sun, Yan Gao, Shu-Mei Jiang, Xiao-Qing Deng, Yu-Heng Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit in the title compound, C(33)H(34)N(2)O(2)·H(2)O, consists of a V-shaped mol­ecule and a water mol­ecule to which it is hydrogen bonded. The angle between the mean planes of the two spiro-connected indane groups is 77.06 (5)°. The two five-membered rings of the indane groups have envelope conformations with the methyl­ene atoms adjacent to the spiro C atom forming the flaps. They have deviations from the mean plane of the other four atoms in the rings of 0.374 (4) and 0.362 (4) Å. In the crystal, molecules are linked to form inversion dimers via O—H⋯N hydrogen bonds involving the pyridine N atoms and the solvent water mol­ecule. The dimers are linked into a chain along the b axis by π–π stacking inter­actions between a pyridine ring and its centrosymmetrically related ring in an adjacent dimer. The centroid–centroid distance between the planes is 3.7756 (17) Å, the perpendicular distance is 3.4478 (11) Å and the offset is 1.539 Å. International Union of Crystallography 2012-05-16 /pmc/articles/PMC3379348/ /pubmed/22719546 http://dx.doi.org/10.1107/S1600536812021289 Text en © Zhang et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Zhang, Ya-Jie
Sun, Yan
Gao, Shu-Mei
Jiang, Xiao-Qing
Deng, Yu-Heng
3,3,3′,3′-Tetra­methyl-6,6′-bis­[(pyridin-4-yl)meth­oxy]-1,1′-spiro­biindane ­monohydrate
title 3,3,3′,3′-Tetra­methyl-6,6′-bis­[(pyridin-4-yl)meth­oxy]-1,1′-spiro­biindane ­monohydrate
title_full 3,3,3′,3′-Tetra­methyl-6,6′-bis­[(pyridin-4-yl)meth­oxy]-1,1′-spiro­biindane ­monohydrate
title_fullStr 3,3,3′,3′-Tetra­methyl-6,6′-bis­[(pyridin-4-yl)meth­oxy]-1,1′-spiro­biindane ­monohydrate
title_full_unstemmed 3,3,3′,3′-Tetra­methyl-6,6′-bis­[(pyridin-4-yl)meth­oxy]-1,1′-spiro­biindane ­monohydrate
title_short 3,3,3′,3′-Tetra­methyl-6,6′-bis­[(pyridin-4-yl)meth­oxy]-1,1′-spiro­biindane ­monohydrate
title_sort 3,3,3′,3′-tetra­methyl-6,6′-bis­[(pyridin-4-yl)meth­oxy]-1,1′-spiro­biindane ­monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379348/
https://www.ncbi.nlm.nih.gov/pubmed/22719546
http://dx.doi.org/10.1107/S1600536812021289
work_keys_str_mv AT zhangyajie 3333tetramethyl66bispyridin4ylmethoxy11spirobiindanemonohydrate
AT sunyan 3333tetramethyl66bispyridin4ylmethoxy11spirobiindanemonohydrate
AT gaoshumei 3333tetramethyl66bispyridin4ylmethoxy11spirobiindanemonohydrate
AT jiangxiaoqing 3333tetramethyl66bispyridin4ylmethoxy11spirobiindanemonohydrate
AT dengyuheng 3333tetramethyl66bispyridin4ylmethoxy11spirobiindanemonohydrate